[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate

C17H14O5 — CID 1409502

IUPAC[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate
SMILESCC(=O)Oc1c(-c2ccco2)oc2c(C)cc(C)cc2c1=O
InChIInChI=1S/C17H14O5/c1-9-7-10(2)15-12(8-9)14(19)17(21-11(3)18)16(22-15)13-5-4-6-20-13/h4-8H,1-3H3
InChIKeyPPLBEQYPSZRPJO-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.60
Rot. Bonds2

About [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate

[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate (PubChem CID 1409502) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate.

Molecular Properties

Compound Name[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate
PubChem CID1409502
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate
SMILESCC(=O)Oc1c(-c2ccco2)oc2c(C)cc(C)cc2c1=O
InChIInChI=1S/C17H14O5/c1-9-7-10(2)15-12(8-9)14(19)17(21-11(3)18)16(22-15)13-5-4-6-20-13/h4-8H,1-3H3
InChIKeyPPLBEQYPSZRPJO-UHFFFAOYSA-N
XLogP3.60
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate
CID 1409504
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate
CID 1409522
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 5-bromopyridine-3-carboxylate
CID 1409513
2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 1413285
3-[(2-fluorophenyl)methoxy]-2-(furan-2-yl)-6,8-dimethylchromen-4-one
CID 1413307
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999926
[2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081579
6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
CID 7747752
[2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 3491095
[2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 3-(3-nitrophenyl)prop-2-enoate
CID 3505462
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
CID 7742903

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate?
The IUPAC name of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate (CID 1409502) is [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate.
What is the SMILES notation for [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate?
The canonical SMILES for [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate is CC(=O)Oc1c(-c2ccco2)oc2c(C)cc(C)cc2c1=O.
What is the InChIKey of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate?
The InChIKey is PPLBEQYPSZRPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-9-7-10(2)15-12(8-9)14(19)17(21-11(3)18)16(22-15)13-5-4-6-20-13/h4-8H,1-3H3.
What are the key properties of [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate?
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate has a molecular weight of 298.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate is sourced from PubChem (CID 1409502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).